[Wien] Reg: Critic program

Peram sreenivasa reddy peramsreenivas at gmail.com
Wed Feb 24 04:58:52 CET 2016


Dear Wien2k,

I am working on a magnetic compound of X2YZ type. I am trying to find the
charge flow between the elements. From the previous mailing list i found
that *X aim *can be useful to find the Bader charge from case.outputaim
file. To get more information about the Bader analyses i am trying to run
the critic programme.

I ran the test example of *fe-alpha *which is having magnetic case
calculations  but i am not able to plot the contours.In that test i have
different folders like *fe-alpha-auto,*  *fe-alpha-del2plot,
fe-alpha-fluxprint,  fe-alpha-integrals-bis, fe-alpha-basinplot,
fe-alpha-densiplot,  fe-alpha-integrals,  fe-alpha-line.*

Here i am confusing which file i need to take to plot the charge flow.

Please help me .......


-- 
*P.V.SREENIVASA REDDY*

*Research ScholarDepartment of Physics *
*Indian Institute of Technology*
*Hyderabad*
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